2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

C14H12N4O2 — CID 2133502

IUPAC2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cccc(NCN2C(=O)c3ccncc3C2=O)n1
InChIInChI=1S/C14H12N4O2/c1-9-3-2-4-12(17-9)16-8-18-13(19)10-5-6-15-7-11(10)14(18)20/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPBDNSKRKMMHFFL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.45
Rot. Bonds3

About 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 2133502) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID2133502
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cccc(NCN2C(=O)c3ccncc3C2=O)n1
InChIInChI=1S/C14H12N4O2/c1-9-3-2-4-12(17-9)16-8-18-13(19)10-5-6-15-7-11(10)14(18)20/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPBDNSKRKMMHFFL-UHFFFAOYSA-N
XLogP1.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 2133502) is 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is Cc1cccc(NCN2C(=O)c3ccncc3C2=O)n1.
What is the InChIKey of 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is PBDNSKRKMMHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-3-2-4-12(17-9)16-8-18-13(19)10-5-6-15-7-11(10)14(18)20/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 268.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 2133502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).